CID 11983470

3-[cyclohexyl(methyl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
CN(CCC(=O)O)C1CCCCC1
InChI
InChI=1S/C10H19NO2/c1-11(8-7-10(12)13)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13)
InChIKey
KDWYJFLCPZFYFB-UHFFFAOYSA-N
Compound name
3-[cyclohexyl(methyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

185.14159 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 143.8
[M+Na]+ 208.13081 146.5
[M-H]- 184.13431 146.1
[M+NH4]+ 203.17541 162.7
[M+K]+ 224.10475 146.3
[M+H-H2O]+ 168.13885 137.5
[M+HCOO]- 230.13979 163.3
[M+CH3COO]- 244.15544 185.2
[M+Na-2H]- 206.11626 146.2
[M]+ 185.14104 139.8
[M]- 185.14214 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe